Base information
| Cat. No. | |
| CAS No. | 1247-64-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H32O5S |
| Molecular Weight | 396.541 |
| Exact Mass | 396.197 |
| XLogP3 | 5.4232 |
| Mr | 105.432 |
| PSA | 89.05 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 62 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=O)[C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC=C2[C@@]1(C)CC[C@@H](C2)OS(=O)(=O)O |
